2'-Deoxy-5'-O-(Hydroxy{[(2R,3R,5S)-3-(Hydroxymethyl)-5-(5-Methyl-2,4-Dioxo-3,4-Dihydro-1(2H)-Pyrimidinyl)Tetrahydro-2-Furanyl]Oxy}Phosphoryl)Adenosine

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Properties Simple | Detailed

Formula C20H26N7O10P
IUPAC Name [(2r,3s,5r)-5-[(5e)-4-cyano-5-cyanoimino-imidazol-1-yl]-3-hydroxy-tetrahydrofuran-2-yl]methoxy-oxido-oxo-phosphonium; 2-[(e)-[(1r,3s,5s)-4,6-dioxabicyclo[3.1.0]hexan-3-yl]iminomethyl]prop-2-enoyl isocyanate; formaldehyde
Molecular Mass 555.435 g·mol−1
Heat of Formation -1830.5 ± 16.7 kJ·mol−1
Dipole Moment 3.02 ± 1.08 D
Volume 591.07 Å 3
Surface Area 500.31 Å 2
HOMO Energy -9.05 ± 0.55 eV
LUMO Energy -0.93 ± eV
Point Group Symmetry C1
Synonyms
  • (dapt)
  • 2'-deoxythymidylyl-(3'-5')-2'-deoxyadenosine
  • [(2r,3s,5r)-5-(6-amino-9-purinyl)-3-hydroxy-2-tetrahydrofuranyl]methyl [(2r,3r,5s)-3-(hydroxymethyl)-5-(5-methyl-2,4-dioxo-1-pyrimidinyl)-2-tetrahydrofuranyl] hydrogen phosphate
  • [(2r,3s,5r)-5-(6-aminopurin-9-yl)-3-hydroxy-oxolan-2-yl]methyl [(2r,3r,5s)-3-(hydroxymethyl)-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)oxolan-2-yl] hydrogen phosphate
  • [(2r,3s,5r)-5-(6-aminopurin-9-yl)-3-hydroxy-tetrahydrofuran-2-yl]methyl [(2r,3r,5s)-3-(hydroxymethyl)-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl] hydrogen phosphate
  • [(2r,3s,5r)-5-(6-aminopurin-9-yl)-3-hydroxy-tetrahydrofuran-2-yl]methyl [(2r,3r,5s)-5-(2,4-diketo-5-methyl-pyrimidin-1-yl)-3-methylol-tetrahydrofuran-2-yl] hydrogen phosphate
  • [(2r,3s,5r)-5-(6-aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methyl [(2r,3r,5s)-3-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl] hydrogen phosphate
  • adenosine, thymidylyl-(3'-5')-2'-deoxy-
  • d(a-t)
  • d(at)
  • d(tpa)
  • deoxyadenylyl-3'.5'-deoxythymidylic acid
  • deoxyadenylyl-3'5'-deoxythymidylate
  • dtl-dad
  • dtpda
  • ta(asterisk)
CAS Number(s)
  • 19192-40-6
InChIKey XPAOKCSHUNYPBS-XSBNNCSWSA-N
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